⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL28297162 | 0.87 | — | — | |
| SCHEMBL9261125 | 0.77 | — | — | |
| SCHEMBL9257474 | 0.76 | EPHX1 (0.33) | — | |
| SCHEMBL11664853 | 0.76 | EPHX1 (0.57) | — | |
| SCHEMBL17781896 | 0.74 | EPHX1 (0.61) | — | |
| SCHEMBL5707836 | 0.74 | EPHX1 (0.61) | — | |
| SCHEMBL251690 | 0.74 | EPHX1 (0.61) | — | |
| SCHEMBL14130542 | 0.74 | EPHX1 (0.61) | — | |
| SCHEMBL28757033 | 0.74 | EPHX1 (0.61) | — | |
| SCHEMBL9261462 | 0.74 | EPHX1 (0.36) | — |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20070004765-A1 | New compounds | BIOVITRUM AB (SE) | 2007-01-04 | — | — | US | disclosed |
| WO-2006122931-A1 | BETA-CARBOLINE DERIVATIVES AND THERI USE AS GHSR MODULATORS | BIOVITRUM AB (PUBL) (SE) | 2006-11-23 | — | — | WO | disclosed |